(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide

C18H13ClN4O — CID 135348773

IUPAC(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1Cl
InChIInChI=1S/C18H13ClN4O/c19-17-16(22-14-8-4-5-9-15(14)23-17)13(10-20)18(24)21-11-12-6-2-1-3-7-12/h1-9,22H,11H2,(H,21,24)/b16-13-
InChIKeyIDTTXCPJWBYGCW-SSZFMOIBSA-N
MW336.78 g/mol
LogP3.47
Rot. Bonds3

About (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide

(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide (PubChem CID 135348773) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide
PubChem CID135348773
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1Cl
InChIInChI=1S/C18H13ClN4O/c19-17-16(22-14-8-4-5-9-15(14)23-17)13(10-20)18(24)21-11-12-6-2-1-3-7-12/h1-9,22H,11H2,(H,21,24)/b16-13-
InChIKeyIDTTXCPJWBYGCW-SSZFMOIBSA-N
XLogP3.47
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide
CID 135348739
N-benzyl-2-cyano-2-cyclooctylideneacetamide
CID 4511559
(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide
CID 177428562
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-N-benzyl-2-cyano-3-hydroxybut-2-enamide
CID 67840001
(Z)-3-amino-N-benzyl-2-cyanobut-2-enamide
CID 91998931
N-benzyl-2-cyano-3-hydroxypent-2-enamide
CID 140970102
(Z)-N-benzyl-2-cyano-3-(2,6-dichloroanilino)prop-2-enamide
CID 108842349
(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 6011071
(E)-N-benzyl-2-cyano-3-(pyridin-3-ylmethylamino)but-2-enamide
CID 919634
N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 3812004
N'-benzyloxamide
CID 561416

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide?
The IUPAC name of (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide (CID 135348773) is (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide.
What is the SMILES notation for (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide?
The canonical SMILES for (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide is N#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1Cl.
What is the InChIKey of (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide?
The InChIKey is IDTTXCPJWBYGCW-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-17-16(22-14-8-4-5-9-15(14)23-17)13(10-20)18(24)21-11-12-6-2-1-3-7-12/h1-9,22H,11H2,(H,21,24)/b16-13-.
What are the key properties of (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide?
(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide has a molecular weight of 336.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide is sourced from PubChem (CID 135348773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).